N-[1-(2-methanesulfonylethyl)piperidin-4-yl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 760399
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NC1CCN(CCS(=O)(=O)C)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NC1CCN(CC1)CCS(=O)(=O)C
• InChI: InChI=1S/C17H24N4O3S/c1-13-3-4-16-19-15(12-21(16)11-13)17(22)18-14-5-7-20(8-6-14)9-10-25(2,23)24/h3-4,11-12,14H,5-10H2,1-2H3,(H,18,22)
• InChIKey: UCNHSTWKYWIKMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methanesulfonylethyl)piperidin-4-yl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[1-(2-methanesulfonylethyl)piperidin-4-yl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.771973
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6074935
• LogD (pH = 7.4): -0.6119761
• Log P: -0.5603638
• Molar Refractivity: 98.0992 cm^3
• Polarizability: 37.631218 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.11
• LOG S: -3.26
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5